4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide

C10H14N2O2S — CID 90274730

IUPAC4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
SMILESCc1cccc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H14N2O2S/c1-9-3-2-4-10(11-9)12-5-7-15(13,14)8-6-12/h2-4H,5-8H2,1H3
InChIKeyWJPSIBVBCUAZMQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.62
Rot. Bonds1

About 4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide

4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 90274730) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
PubChem CID90274730
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
SMILESCc1cccc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H14N2O2S/c1-9-3-2-4-10(11-9)12-5-7-15(13,14)8-6-12/h2-4H,5-8H2,1H3
InChIKeyWJPSIBVBCUAZMQ-UHFFFAOYSA-N
XLogP0.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide (CID 90274730) is 4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide is Cc1cccc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is WJPSIBVBCUAZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-9-3-2-4-10(11-9)12-5-7-15(13,14)8-6-12/h2-4H,5-8H2,1H3.
What are the key properties of 4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 226.30 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 90274730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).